Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 17514347
MolClass #40001
NKTZTQXAXSFVDT-UHFFFAOYSA-N
- 7965716
MolClass #40002
PJZGZFOFOWSCMY-UHFFFAOYSA-N
- 4245126
MolClass #40003
HOFGJNIUBPELBO-UHFFFAOYSA-N
- 24825743
MolClass #40004
HVRZYBVQGWHGBU-UHFFFAOYSA-N
- 844499
MolClass #40005
SMTJESATASERRK-UHFFFAOYSA-N
- 17409924
MolClass #40006
DILJQNJZIUFMNL-UHFFFAOYSA-N
- 24781179
MolClass #40007
MPCNLNRGIHYRBT-ONEGZZNKSA-N
- 861152
MolClass #40008
JRXGQPDRQYXBSA-UHFFFAOYSA-N
- 3712006
MolClass #40009
ZCLAJJPBYPQMJR-UHFFFAOYSA-N
- 4261044
MolClass #40010
YBOCYKXDJUXDCE-UHFFFAOYSA-N
- 24824399
MolClass #40011
KWTDMROADGOLEY-UHFFFAOYSA-N
- 24791733
MolClass #40012
YVJUABBITHLYPS-UHFFFAOYSA-N
- 3711507
MolClass #40013
NQIJOZBYPDZALU-UHFFFAOYSA-N
- 17432669
MolClass #40014
HDENPXAEIHEJHC-UHFFFAOYSA-N
- 3716808
MolClass #40015
DHJIOBQWVKWKQO-UHFFFAOYSA-N
- 4264524
MolClass #40016
FAIVZCRUPGPMRK-UHFFFAOYSA-N
- 842218
MolClass #40017
BGIICOPPZAXIRZ-UHFFFAOYSA-N
- 24780563
MolClass #40018
XJLNIXNDPVRNEC-YVLHZVERSA-N
- 3714800
MolClass #40019
OUVUHPCPFSJDEU-UHFFFAOYSA-N
- 865724
MolClass #40020
VUZNKJCPAQTNBB-FBMGVBCBSA-N
- 7964692
MolClass #40021
ZEOWTXXHKVZLIU-UHFFFAOYSA-N
- 7967858
MolClass #40022
- 7969030
MolClass #40023
BFPLGNKOXHIOLH-UHFFFAOYSA-N
- 24822759
MolClass #40024
XFWRGFLXRYTXBY-SDXDJHTJSA-N
- 858275
MolClass #40025
YTTXMFJVJNFJBD-UHFFFAOYSA-N
- 22411770
MolClass #40026
XBYBEPHKLYLOKK-UHFFFAOYSA-N
- 22404589
MolClass #40027
BCDRZNPOBRAABB-UHFFFAOYSA-N
- 14730572
MolClass #40028
PUWNHFGDUCAPND-UHFFFAOYSA-N
- 24818101
MolClass #40029
HKXFDXRLJOPDDW-UHFFFAOYSA-N
- 4241474
MolClass #40030
YUQLCFIENJIYEV-UHFFFAOYSA-N
- 24809175
MolClass #40031
HIHYKKFLYRHNEH-UHFFFAOYSA-N
- 24781999
MolClass #40032
BQLKCQTTYZULNQ-UHFFFAOYSA-N
- 7965067
MolClass #40033
KONGIACDDMCELK-UHFFFAOYSA-N
- 4242316
MolClass #40034
LLIXVRKDDOTPKZ-UHFFFAOYSA-N
- 14745234
MolClass #40035
NPBBUFXMZNTQLF-REZTVBANSA-N
- 24800645
MolClass #40036
VDMMLLTVTVWXNT-UHFFFAOYSA-N
- 22402590
MolClass #40037
AHOQBMMKXUYLMD-UHFFFAOYSA-N
- 17507061
MolClass #40038
UTPLQTTYEQYLDB-UHFFFAOYSA-N
- 4248315
MolClass #40039
ILJAMQMTWGSIKA-UHFFFAOYSA-N
- 17408829
MolClass #40040
CYUXMFZLEXGGTG-UHFFFAOYSA-N
- 4245925
MolClass #40041
OFBJGKJMVMTULR-UHFFFAOYSA-N
- 14741196
MolClass #40042
BQVQIJXPCGSCDD-UHFFFAOYSA-N
- 7968358
MolClass #40043
BHMRVXBKMPSDAR-UHFFFAOYSA-N
- 14741407
MolClass #40044
ABSIBCLQUQBAGW-VHEBQXMUSA-N
- 24804521
MolClass #40045
SWROKIJTBPBNIO-KWHVPRLASA-N
- 3717464
MolClass #40046
UHRQYIBCKAFVAF-UHFFFAOYSA-N
- 7970047
MolClass #40047
VEDJOJFRQFSFGQ-UHFFFAOYSA-N
- 24788011
MolClass #40048
JOIKXMCUWSZGLA-UHFFFAOYSA-N
- 24787357
MolClass #40049
LJHWCRCDVDMSTC-UHFFFAOYSA-N
- 16952953
MolClass #40050
FZLJIRKFWZQKKY-UHFFFAOYSA-N
- 17409060
MolClass #40051
ZGTXXTZWJCUZSG-UHFFFAOYSA-N
- 7969013
MolClass #40052
IIALCKIGVJGAKS-UHFFFAOYSA-N
- 14718740
MolClass #40053
DLWSXWSJZBRGFI-JAIQZWGSSA-N
- 24791979
MolClass #40054
WUQSDNURANWAJJ-UHFFFAOYSA-N
- 4245228
MolClass #40055
TUEUIIQDTDWKIT-UHFFFAOYSA-N
- 14727816
MolClass #40056
CDDYCBJDNUHIJA-UHFFFAOYSA-N
- 17510700
MolClass #40057
BRDWSRHFGGHGAV-UHFFFAOYSA-N
- 863151
MolClass #40058
GKNCBQAUZHEXLO-UHFFFAOYSA-N
- 855547
MolClass #40059
VWQWXZAWFPZJDA-CGVGKPPMSA-M
- 24814002
MolClass #40060
JQGQKYLYODTIHW-UHFFFAOYSA-N
- 22415650
MolClass #40061
QBDQWIXYBQFSJH-UHFFFAOYSA-N
- 11533022
MolClass #40062
CZGFLAQOJPXVRV-FLVROIOLSA-N
- 3712007
MolClass #40063
YPTXWZJIXUVQNH-XIEYBQDHSA-N
- 3714224
MolClass #40064
JOOXXDORGNBPPM-UHFFFAOYSA-N
- 26719844
MolClass #40065
- 17406658
MolClass #40066
KUEXSLHIHIPCNL-UHFFFAOYSA-N
- 24819525
MolClass #40067
LWJBOBCDIKRMDV-YDZHTSKRSA-N
- 863350
MolClass #40068
DNPIORVGMXAAGZ-UHFFFAOYSA-N
- 4250711
MolClass #40069
WNOGKGIPTLYHBB-UHFFFAOYSA-N
- 24797324
MolClass #40070
GJTJFBHITMENPA-UHFFFAOYSA-N
- 11532928
MolClass #40071
QOZFCKXEVSGWGS-ZHIYBZGJSA-N
- 24821223
MolClass #40072
SUKVUXFVBCHCRA-UHFFFAOYSA-O
- 4244049
MolClass #40073
QPVLGHKPCXACPD-UHFFFAOYSA-N
- 4252049
MolClass #40074
GCMJWSXAGLMMGK-UHFFFAOYSA-N
- 7973606
MolClass #40075
AAYGWEIDFUXEOA-UHFFFAOYSA-N
- 24835671
MolClass #40076
FRAWTRBOHBKISQ-QPJJXVBHSA-N
- 14728994
MolClass #40077
KAKSOKFABYJBCC-UHFFFAOYSA-N
- 4251293
MolClass #40078
VAUPIUQHWUZONE-UHFFFAOYSA-N
- 17409113
MolClass #40079
NFDAWATZLGKCQD-DAXSKMNVSA-N
- 22401598
MolClass #40080
KXBPQDKRWSADML-UHFFFAOYSA-N
- 17402271
MolClass #40081
IGAGHFBUXFBSAK-UHFFFAOYSA-N
- 14730716
MolClass #40082
QZKBJAYOGSTPSS-UHFFFAOYSA-N
- 17505925
MolClass #40083
OPOWEEQYPKDOLH-UHFFFAOYSA-N
- 4250497
MolClass #40084
MZDWKTUOMIQWKM-UHFFFAOYSA-N
- 24821061
MolClass #40085
SGLXTTNWOLLBMW-UHFFFAOYSA-N
- 863904
MolClass #40086
- 4254649
MolClass #40087
WGXHRMPAGZUAKK-UHFFFAOYSA-N
- 24817566
MolClass #40088
RPZOCZJKTZOSID-UHFFFAOYSA-N
- 14719179
MolClass #40089
- 24817830
MolClass #40090
SEDAEBBGVPWXMP-UHFFFAOYSA-N
- 7976230
MolClass #40091
KLMWFTADYZTZLP-UHFFFAOYSA-N
- 17507171
MolClass #40092
YQOPFILXEFXBQU-UHFFFAOYSA-O
- 14727944
MolClass #40093
PKPWQONQZUMHLK-UHFFFAOYSA-N
- 7976639
MolClass #40094
- 17504180
MolClass #40095
ZZJVRPVNTZKEPA-UHFFFAOYSA-N
- 24808116
MolClass #40096
UMZOUEPDWFXKRI-UHFFFAOYSA-N
- 24807110
MolClass #40097
QRAOIGYCGXKKQG-UHFFFAOYSA-N
- 7975811
MolClass #40098
HPRRSGUVFUNSCJ-UHFFFAOYSA-N
- 4256238
MolClass #40099
BRTITNXXQUYBBF-UHFFFAOYSA-N
- 24824215
MolClass #40100
XCKJLGGYEVIVIF-UHFFFAOYSA-N